| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 19 | Yes |
Popular Name: 2-(2-chloro-4-fluoro-phenyl)-6-methoxy-1,3-benzothiazole 2-(2-chloro-4-fluoro-phenyl)-6-m…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.09 | 7.99 | -6.9 | 0 | 2 | 0 | 22 | 293.75 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI-1-E | Luciferin 4-monooxygenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4900 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUCI_PHOPY | P08659 | Luciferin 4-monooxygenase, Phopy | 5400 | 0.39 | Binding ≤ 10μM |
| LUCI_PHOPE | Q27757 | Luciferin 4-monooxygenase, Phope | 4900 | 0.39 | Binding ≤ 10μM |
